methyl 4-[[2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H24N4O4S/c1-16-8-13-22(27-14-16)30-24(32)20-6-4-5-7-21(20)29-26(30)35-17(2)23(31)28-15-18-9-11-19(12-10-18)25(33)34-3/h4-14,17H,15H2,1-3H3,(H,28,31)